(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide

C19H19F3N2O4 — CID 7669354

IUPAC(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C19H19F3N2O4/c1-12(18(25)24-15-7-5-14(6-8-15)19(20,21)22)28-23-11-13-4-9-16(26-2)17(10-13)27-3/h4-12H,1-3H3,(H,24,25)/b23-11-/t12-/m1/s1
InChIKeyAAFFLXSDMKINKK-RMJYUUNHSA-N
MW396.37 g/mol
LogP4.10
Rot. Bonds7

About (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 7669354) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID7669354
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C19H19F3N2O4/c1-12(18(25)24-15-7-5-14(6-8-15)19(20,21)22)28-23-11-13-4-9-16(26-2)17(10-13)27-3/h4-12H,1-3H3,(H,24,25)/b23-11-/t12-/m1/s1
InChIKeyAAFFLXSDMKINKK-RMJYUUNHSA-N
XLogP4.10
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
CID 7700436
(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7670510
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(4-fluorophenyl)propanamide
CID 7703063
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7668892
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 8935247
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 18273465
N-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701093
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide (CID 7669354) is (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide is COc1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC.
What is the InChIKey of (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AAFFLXSDMKINKK-RMJYUUNHSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-12(18(25)24-15-7-5-14(6-8-15)19(20,21)22)28-23-11-13-4-9-16(26-2)17(10-13)27-3/h4-12H,1-3H3,(H,24,25)/b23-11-/t12-/m1/s1.
What are the key properties of (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 396.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7669354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).